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Cycloprop[7,8]ergost-22-en-3-one, 3',7-dihydro-, (5.alpha.,7.beta.,8.alpha.,22E)-
SpectraBase Compound ID 6vzrDiLlKyr
InChI InChI=1S/C29H46O/c1-18(2)19(3)7-8-20(4)24-9-10-25-28(24,6)14-12-26-27(5)13-11-23(30)16-21(27)15-22-17-29(22,25)26/h7-8,18-22,24-26H,9-17H2,1-6H3/b8-7+
InChIKey MXBMERZNHWUXDO-BQYQJAHWSA-N
Mol Weight 410.7 g/mol
Molecular Formula C29H46O
Exact Mass 410.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DO6cFSdyaoN
Name Cycloprop[7,8]ergost-22-en-3-one, 3',7-dihydro-, (5.alpha.,7.beta.,8.alpha.,22E)-
Alternate Name(s) 9a,11a-Dimethyl-1-[(2E)-1,4,5-trimethyl-2-hexenyl]tetradecahydro-1H-cyclopenta[a]cyclopropa[m]phenanthren-7(4H)-one
CAS Registry Number 53755-18-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H46O
InChI InChI=1S/C29H46O/c1-18(2)19(3)7-8-20(4)24-9-10-25-28(24,6)14-12-26-27(5)13-11-23(30)16-21(27)15-22-17-29(22,25)26/h7-8,18-22,24-26H,9-17H2,1-6H3/b8-7+
InChIKey MXBMERZNHWUXDO-BQYQJAHWSA-N
Molecular Weight 410.686 g/mol
SMILES CC(C)C(C)\C=C\C(C)C1CCC2C1(C)CCC1C3(C)CCC(=O)CC3CC3CC213
SPLASH splash10-067i-9620000000-e409198ad0acc6c3c3ca
Source of Spectrum SD-1981-0-0
Wiley ID 1373895